3-[(2-Amino-7H-Purin-6-Yl)Oxy]Propanenitrile

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Properties Simple | Detailed

Formula C8H8N6O
IUPAC Name 3-(2-aminopurin-7-ium-6-yl)oxypropanenitrile
Molecular Mass 204.189 g·mol−1
Heat of Formation 239.7 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 229.06 Å 3
Surface Area 228.25 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2-amino-7h-purin-6-yl)oxy]propionitrile
  • o(6)-(2-cyanoethyl)guanine
  • propanenitrile, 3-((2-amino-1h-purin-6-yl)oxy)-
CAS Number(s)
  • 118822-55-2
InChIKey SGRXVOKUPDFBAC-UHFFFAOYSA-N
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